3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

C21H19N3O2 — CID 91887199

IUPAC3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-9-16(10-8-15)13-23-11-12-24-20(21(23)26)18(14-25)19(22-24)17-5-3-2-4-6-17/h2-12,25H,13-14H2,1H3
InChIKeyOBJRUYVMTOWJCX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.01
Rot. Bonds4

About 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91887199) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID91887199
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-9-16(10-8-15)13-23-11-12-24-20(21(23)26)18(14-25)19(22-24)17-5-3-2-4-6-17/h2-12,25H,13-14H2,1H3
InChIKeyOBJRUYVMTOWJCX-UHFFFAOYSA-N
XLogP3.01
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 91887199) is 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(Cn2ccn3nc(-c4ccccc4)c(CO)c3c2=O)cc1.
What is the InChIKey of 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OBJRUYVMTOWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-7-9-16(10-8-15)13-23-11-12-24-20(21(23)26)18(14-25)19(22-24)17-5-3-2-4-6-17/h2-12,25H,13-14H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91887199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).